N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide

C12H17N5O2 — CID 122563183

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1nnc(CC)o1
InChIInChI=1S/C12H17N5O2/c1-3-7-17-9(5-6-14-17)12(18)13-8-11-16-15-10(4-2)19-11/h5-6H,3-4,7-8H2,1-2H3,(H,13,18)
InChIKeyFCWLVBFJMHJZJM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.17
Rot. Bonds6

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide (PubChem CID 122563183) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide
PubChem CID122563183
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1nnc(CC)o1
InChIInChI=1S/C12H17N5O2/c1-3-7-17-9(5-6-14-17)12(18)13-8-11-16-15-10(4-2)19-11/h5-6H,3-4,7-8H2,1-2H3,(H,13,18)
InChIKeyFCWLVBFJMHJZJM-UHFFFAOYSA-N
XLogP1.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide (CID 122563183) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NCc1nnc(CC)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is FCWLVBFJMHJZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-7-17-9(5-6-14-17)12(18)13-8-11-16-15-10(4-2)19-11/h5-6H,3-4,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 122563183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).